MolNFT v1 · #14753 · protein + DNA
Methionine repressor mutant (Q44K) plus corepressor (S-adenosyl methionine) complexed to an altered met consensus operator sequence
1MJQ · Mutated met consensus operator duplex: “Methionine repressor mutant (Q44K) plus corepressor (S-adenosyl methionine) complexed to an altered met…”. X-ray diffraction, 1 ligand (SAM), 18 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 1MJQ
- Type
- protein + DNA
- Length
- 908 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mutated met consensus operator duplex; Methionine repressor
- UniProt
- P0A8U6
- Ligands
- SAM
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E, F, K, L | Mutated met consensus operator duplex | dna | 19 | — | — |
| A, B, C, D, G, H, I, J | Methionine repressor | protein | 104 | 44% helix, 9% strand | P0A8U6 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 8 copies · chains A, B, C, D, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1162 | 0.79 | 0.81 | 91 | empty |
| 2 | 1130 | 0.78 | 0.80 | 97 | empty |
| 3 | 64 | 0.44 | 0.82 | 14 | SAM |
| 4 | 68 | 0.43 | 0.81 | 14 | SAM |
| 5 | 131 | 0.43 | 0.76 | 22 | empty |
Interfaces
28 interfaces between chains.
- A–B · 1672 Ų buried · 14 hydrogen bonds · protein-protein
- I–J · 1668 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1666 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 1664 Ų buried · 14 hydrogen bonds · protein-protein
- K–L · 796 Ų buried · 72 hydrogen bonds · nucleic-nucleic
Compared structures
- 1MJQ · Methionine repressor mutant (Q44K) plus corepressor (S-adenosyl methionine) complexed to… · the same entry in another collection · chain J against J, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0A8U6
- Elsewhere: RCSB PDB 1MJQ · PDBe 1MJQ · UniProt P0A8U6
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